COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040982
Chemical Name: diethyl9'-ethoxy-5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Smiles: CCOC(=O)C1=CC2(C3=C(S1)C(C)(C)N(c1c3cc(OCC)cc1)C(=O)Cc1ccccc1)SC=C(S2)C(=O)OCC

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Molecular Weight: 623.82
Empirical Formula: C32H33NO6S3

Physical State: Dry powder
Available Amount: 485 mg

Lipinsky:
logP: 11.446
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 158
Number of rings: 5

     

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